==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 19-OCT-11 3U9P . COMPND 2 MOLECULE: NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.CORRENTI,R.K.STRONG . 1142 17 8 5 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 749 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 453 39.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 108 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 2 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 7 18 7 11 18 5 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 8 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 C L 0 0 128 0, 0.0 33,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 133.8 -21.4 -59.0 52.5 2 2 C I - 0 0 37 31,-0.3 2,-0.1 1,-0.1 31,-0.1 -0.344 360.0-100.3 -65.5 142.7 -20.6 -57.2 55.8 3 3 C P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 121,-0.1 -0.421 34.9-107.4 -73.7 139.0 -17.2 -55.6 55.9 4 4 C A - 0 0 4 -2,-0.1 2,-0.1 1,-0.1 112,-0.1 -0.288 31.8-124.4 -56.6 130.2 -14.2 -57.2 57.5 5 5 C P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.426 28.2-106.4 -69.8 157.5 -12.9 -55.7 60.8 6 6 C S > - 0 0 0 1,-0.1 4,-2.1 -2,-0.1 3,-0.3 -0.406 24.2-115.6 -76.2 162.3 -9.3 -54.5 61.1 7 7 C L T 4 S+ 0 0 4 1032,-1.2 1033,-0.2 1,-0.2 1032,-0.1 0.649 116.8 58.6 -75.6 -17.8 -6.8 -56.5 63.1 8 8 C L T 4 S+ 0 0 16 1031,-0.9 -1,-0.2 1030,-0.3 1032,-0.1 0.801 109.4 42.6 -75.2 -30.9 -6.5 -53.6 65.5 9 9 C T T 4 S+ 0 0 45 -3,-0.3 -2,-0.2 1030,-0.2 -1,-0.1 0.869 99.3 79.2 -86.0 -37.9 -10.3 -53.7 66.3 10 10 C V S < S- 0 0 2 -4,-2.1 104,-0.0 1,-0.1 141,-0.0 -0.549 95.6-110.4 -65.9 127.8 -10.4 -57.5 66.6 11 11 C P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 103,-0.2 -0.093 24.1-144.7 -59.2 163.5 -9.1 -58.4 70.0 12 12 C L - 0 0 36 -4,-0.1 91,-0.3 -3,-0.1 92,-0.1 -0.964 22.0-117.5-135.4 112.7 -5.8 -60.1 70.6 13 13 C Q > - 0 0 38 89,-3.2 3,-0.7 -2,-0.4 91,-0.1 -0.292 44.9-118.9 -46.6 121.0 -5.3 -62.6 73.4 14 14 C P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.333 86.8 4.1 -71.5 156.8 -2.6 -60.8 75.5 15 15 C D T 3 S- 0 0 84 1,-0.1 67,-0.1 -3,-0.1 -2,-0.1 0.887 92.4-154.9 27.5 57.6 0.9 -62.4 76.0 16 16 C F < - 0 0 18 -3,-0.7 2,-0.6 65,-0.4 -1,-0.1 -0.334 2.7-147.3 -58.8 137.7 -0.4 -65.1 73.8 17 17 C R >> - 0 0 93 1,-0.2 4,-1.7 -3,-0.1 3,-0.6 -0.895 13.4-164.3-120.4 102.6 1.4 -68.3 74.5 18 18 C S H 3> S+ 0 0 15 -2,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.874 88.9 61.1 -45.6 -44.9 2.1 -70.7 71.6 19 19 C D H 34 S+ 0 0 81 1,-0.2 -1,-0.2 2,-0.2 33,-0.1 0.890 108.4 38.9 -53.8 -50.5 2.9 -73.5 74.0 20 20 C Q H <4 S+ 0 0 78 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 113.0 55.5 -78.4 -25.9 -0.5 -73.6 75.7 21 21 C F H < S+ 0 0 1 -4,-1.7 29,-0.2 -3,-0.1 -1,-0.2 0.800 87.8 98.1 -76.1 -29.4 -2.6 -73.0 72.6 22 22 C R < + 0 0 81 -4,-1.8 2,-0.2 -5,-0.2 29,-0.2 0.041 61.4 48.1 -52.2 165.1 -1.2 -76.0 70.7 23 23 C G E S-A 50 0A 25 27,-2.2 27,-2.6 2,-0.0 2,-0.4 -0.606 95.5 -9.9 102.8-161.9 -2.9 -79.4 70.5 24 24 C R E +A 49 0A 30 25,-0.2 2,-0.4 -2,-0.2 25,-0.2 -0.618 53.5 178.8 -85.3 128.5 -6.5 -80.5 69.7 25 25 C W E -A 48 0A 0 23,-2.4 23,-3.1 -2,-0.4 2,-0.4 -0.987 16.3-148.3-123.5 139.2 -9.3 -78.0 69.4 26 26 C Y E -AB 47 131A 31 105,-2.8 105,-1.8 -2,-0.4 2,-1.4 -0.921 20.7-125.3-105.6 132.8 -12.9 -78.9 68.6 27 27 C V E + B 0 130A 0 19,-2.1 19,-0.3 -2,-0.4 103,-0.2 -0.624 35.2 170.6 -80.2 91.9 -15.0 -76.4 66.7 28 28 C V E - 0 0 13 101,-1.8 133,-1.9 -2,-1.4 2,-0.3 0.860 66.0 -2.5 -68.9 -40.2 -18.0 -76.0 68.9 29 29 C G E -CB 160 129A 0 100,-1.4 100,-4.2 131,-0.2 2,-0.3 -0.985 59.2-158.8-152.6 154.1 -19.5 -73.0 67.0 30 30 C L E -CB 159 128A 13 129,-2.7 129,-2.4 -2,-0.3 2,-0.3 -0.984 9.0-179.7-137.5 147.0 -18.7 -70.8 64.0 31 31 C A E +CB 158 127A 0 96,-1.9 96,-2.8 -2,-0.3 2,-0.3 -0.977 18.4 135.5-151.4 130.5 -20.0 -67.4 63.1 32 32 C G E > - B 0 126A 1 125,-2.0 3,-1.7 -2,-0.3 94,-0.2 -0.992 60.4 -88.3-174.1 169.3 -19.2 -65.2 60.1 33 33 C N T 3 S+ 0 0 17 92,-1.9 -31,-0.3 -2,-0.3 93,-0.1 0.582 120.0 46.5 -74.1 -13.8 -20.3 -62.9 57.3 34 34 C A T 3 S+ 0 0 68 91,-0.4 2,-0.3 123,-0.1 -1,-0.3 0.377 90.1 110.6-100.7 4.8 -21.0 -65.7 54.7 35 35 C V < - 0 0 31 -3,-1.7 2,-0.4 122,-0.2 123,-0.1 -0.618 43.3-174.0 -88.2 135.5 -23.0 -67.9 57.2 36 36 C Q >>> - 0 0 115 -2,-0.3 4,-4.4 1,-0.1 3,-0.6 -0.821 13.5-179.0-132.9 95.5 -26.8 -68.5 56.9 37 37 C K T 345S+ 0 0 32 119,-2.4 -1,-0.1 -2,-0.4 120,-0.1 0.895 87.4 59.1 -56.8 -40.6 -28.7 -70.4 59.7 38 38 C K T 345S+ 0 0 93 118,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.831 124.6 19.9 -62.0 -34.4 -32.0 -70.0 57.8 39 39 C T T <45S+ 0 0 76 -3,-0.6 -2,-0.2 2,-0.0 -1,-0.2 0.839 137.1 35.6 -94.8 -50.7 -30.5 -71.8 54.7 40 40 C E T <5S- 0 0 62 -4,-4.4 2,-0.7 1,-0.1 -3,-0.3 0.967 75.0-178.4 -73.5 -56.4 -27.5 -73.7 56.3 41 41 C G < - 0 0 47 -5,-0.5 119,-0.3 2,-0.0 2,-0.2 -0.213 58.2 -29.7 93.5 -45.5 -29.1 -74.5 59.7 42 42 C S - 0 0 66 -2,-0.7 2,-0.3 117,-0.1 119,-0.2 -0.885 58.7-133.5 169.2 168.8 -26.1 -76.3 61.3 43 43 C F E -j 161 0B 51 117,-0.8 119,-1.6 -2,-0.2 2,-0.1 -0.992 29.8 -94.0-145.8 147.4 -23.0 -78.4 60.4 44 44 C T E -j 162 0B 69 -2,-0.3 117,-0.1 117,-0.2 21,-0.0 -0.392 53.9-105.2 -59.3 135.0 -21.3 -81.6 61.5 45 45 C M - 0 0 2 117,-2.8 20,-0.5 -2,-0.1 2,-0.3 -0.237 38.0-170.8 -61.7 148.2 -18.5 -80.9 64.0 46 46 C Y - 0 0 43 -19,-0.3 -19,-2.1 18,-0.1 2,-0.2 -0.983 15.0-128.3-139.9 152.2 -14.8 -81.0 63.0 47 47 C S E -AD 26 63A 0 16,-1.6 16,-1.1 -2,-0.3 2,-0.4 -0.607 10.3-158.3 -95.1 156.0 -11.5 -80.8 64.9 48 48 C T E -AD 25 62A 3 -23,-3.1 -23,-2.4 14,-0.2 2,-0.5 -0.985 7.4-159.7-132.0 126.9 -8.4 -78.6 64.3 49 49 C I E -AD 24 61A 39 12,-2.5 12,-2.1 -2,-0.4 2,-0.8 -0.925 3.8-157.6-109.0 126.6 -5.0 -79.6 65.7 50 50 C Y E -AD 23 60A 2 -27,-2.6 -27,-2.2 -2,-0.5 2,-0.8 -0.824 9.7-168.5-106.1 95.6 -2.3 -77.0 66.1 51 51 C E E - D 0 59A 45 8,-1.3 8,-2.1 -2,-0.8 2,-0.4 -0.747 18.3-137.2 -89.4 108.2 1.1 -78.8 66.1 52 52 C L E - D 0 58A 58 -2,-0.8 6,-0.2 6,-0.2 2,-0.1 -0.514 20.5-158.1 -69.7 120.3 3.8 -76.3 67.2 53 53 C Q > - 0 0 69 4,-2.5 3,-1.3 -2,-0.4 -1,-0.0 -0.407 33.6-103.1 -87.6 170.5 6.9 -76.6 65.1 54 54 C E T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.711 122.0 64.3 -68.7 -20.0 10.4 -75.5 66.1 55 55 C N T 3 S- 0 0 125 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.718 116.0-117.8 -60.6 -27.1 9.9 -72.4 63.8 56 56 C N S < S+ 0 0 76 -3,-1.3 -2,-0.1 1,-0.4 2,-0.1 0.460 81.0 118.8 83.3 8.0 7.2 -71.5 66.2 57 57 C S - 0 0 4 19,-0.1 -4,-2.5 20,-0.1 2,-0.4 -0.375 63.8-119.4 -83.0 174.3 4.7 -71.8 63.4 58 58 C Y E -DE 52 75A 0 17,-2.5 17,-2.4 -6,-0.2 2,-0.9 -0.969 3.1-145.6-117.3 140.1 1.9 -74.3 63.5 59 59 C N E -DE 51 74A 54 -8,-2.1 -8,-1.3 -2,-0.4 2,-0.5 -0.863 31.8-155.7 -92.6 94.3 1.2 -77.2 61.1 60 60 C V E -DE 50 73A 0 13,-1.6 13,-2.9 -2,-0.9 2,-0.5 -0.650 13.7-174.5 -83.9 123.8 -2.6 -76.9 61.4 61 61 C T E -DE 49 72A 31 -12,-2.1 -12,-2.5 -2,-0.5 2,-0.6 -0.961 7.0-163.6-120.3 113.6 -4.5 -80.1 60.6 62 62 C S E -DE 48 71A 4 9,-3.9 9,-2.7 -2,-0.5 2,-0.5 -0.865 5.4-157.0-100.4 124.9 -8.3 -80.2 60.4 63 63 C I E -DE 47 70A 6 -16,-1.1 -16,-1.6 -2,-0.6 2,-0.4 -0.878 17.6-178.8 -97.4 127.6 -10.0 -83.6 60.5 64 64 C L E - E 0 69A 51 5,-2.2 5,-2.9 -2,-0.5 2,-0.3 -0.983 29.1-119.2-131.1 139.8 -13.5 -83.6 59.0 65 65 C V 0 0 46 -20,-0.5 -21,-0.1 -2,-0.4 102,-0.1 -0.602 360.0 360.0 -71.3 133.6 -16.1 -86.4 58.6 66 66 C R 0 0 119 -2,-0.3 -2,-0.1 0, 0.0 101,-0.0 -0.205 360.0 360.0 168.9 360.0 -16.9 -87.1 54.9 67 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 72 C a 0 0 75 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 139.1 -12.3 -88.6 57.1 69 73 C R E -E 64 0A 64 -5,-2.9 -5,-2.2 2,-0.0 2,-0.6 -0.971 360.0-147.7-122.9 133.7 -11.0 -85.6 55.1 70 74 C Y E -E 63 0A 124 -2,-0.4 2,-0.6 -7,-0.2 -7,-0.2 -0.899 10.3-170.5-117.1 111.6 -7.8 -83.9 56.1 71 75 C W E -E 62 0A 84 -9,-2.7 -9,-3.9 -2,-0.6 2,-0.4 -0.887 16.1-175.8-100.5 115.2 -7.3 -80.1 55.6 72 76 C I E +E 61 0A 84 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.968 10.8 154.4-127.4 126.2 -3.7 -79.3 56.3 73 77 C R E -E 60 0A 52 -13,-2.9 -13,-1.6 -2,-0.4 2,-0.5 -0.855 38.0-117.2-141.2 164.8 -2.1 -75.8 56.3 74 78 C T E -E 59 0A 39 -2,-0.3 13,-3.3 13,-0.2 2,-0.6 -0.971 18.9-157.6-114.5 126.0 0.8 -73.9 57.8 75 79 C F E -EF 58 86A 1 -17,-2.4 -17,-2.5 -2,-0.5 11,-0.2 -0.910 12.2-160.9-100.1 116.2 0.0 -70.9 60.1 76 80 C V E - F 0 85A 55 9,-2.8 9,-2.4 -2,-0.6 -19,-0.1 -0.832 25.7-106.9-102.3 131.7 3.0 -68.5 60.2 77 81 C P E - F 0 84A 49 0, 0.0 7,-0.3 0, 0.0 4,-0.1 -0.342 38.9-161.1 -63.4 133.5 3.4 -66.0 63.1 78 82 C S - 0 0 39 5,-2.3 5,-0.1 2,-0.4 4,-0.1 0.126 44.2 -54.9 -96.4-151.9 2.6 -62.5 62.0 79 83 C S S S+ 0 0 52 962,-0.2 2,-0.4 1,-0.1 5,-0.0 0.815 120.5 35.8 -64.9 -35.7 3.5 -59.1 63.6 80 84 C R S > S- 0 0 37 961,-0.1 3,-2.7 0, 0.0 -2,-0.4 -0.974 96.5 -98.7-124.4 136.0 2.0 -59.7 67.1 81 85 C A T 3 S+ 0 0 66 -2,-0.4 -65,-0.4 1,-0.3 3,-0.1 -0.265 114.4 38.9 -51.8 128.3 1.9 -62.9 69.1 82 86 C G T 3 S+ 0 0 1 1,-0.4 20,-2.1 -67,-0.1 2,-0.3 0.019 99.2 98.0 111.0 -22.5 -1.5 -64.4 68.5 83 87 C Q E < + G 0 101A 3 -3,-2.7 -5,-2.3 18,-0.2 -1,-0.4 -0.734 47.6 173.9 -97.3 146.8 -1.6 -63.4 64.8 84 88 C F E -FG 77 100A 8 16,-3.0 16,-2.8 -2,-0.3 2,-0.3 -0.989 20.1-153.0-144.0 155.6 -0.8 -65.6 61.8 85 89 C T E -FG 76 99A 29 -9,-2.4 -9,-2.8 -2,-0.3 2,-0.6 -0.756 40.7 -93.1-110.9 172.9 -0.8 -65.6 58.0 86 90 C L E > -F 75 0A 7 12,-0.7 3,-0.8 -2,-0.3 -11,-0.2 -0.774 42.1-120.3 -87.3 120.5 -1.1 -68.7 55.8 87 91 C G T 3 S+ 0 0 7 -13,-3.3 -13,-0.2 -2,-0.6 4,-0.1 -0.137 88.8 2.9 -50.3 150.5 2.2 -70.2 54.8 88 92 C N T > S+ 0 0 75 1,-0.2 3,-2.2 2,-0.1 -1,-0.2 0.760 72.4 175.9 35.1 51.2 3.0 -70.4 51.1 89 93 C M G X + 0 0 43 -3,-0.8 3,-2.4 1,-0.3 6,-0.3 0.765 67.7 76.6 -53.3 -29.6 -0.3 -68.6 50.1 90 94 C H G 3 S+ 0 0 145 1,-0.3 -1,-0.3 6,-0.0 -2,-0.1 0.730 85.5 63.5 -57.0 -21.9 0.8 -68.7 46.4 91 95 C R G < S+ 0 0 150 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.509 89.3 75.8 -80.2 -5.1 -0.1 -72.4 46.4 92 96 C Y X - 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